# --------------------------------------------------------------------------
#
# CIF file generated by openbabel 2.3.2 http://openbabel.org/
# to comply with the Macromolecular CIF Dictionary  (cif_mm.dic) version  2.0.11 http://mmcif.pdb.org/
# The contents of this file were derived from CER200.gro
#
#---------------------------------------------------------------------------

data_CER200

###########
## ENTRY ##
###########

_entry.id	CER200

##############
## CHEMICAL ##
##############

_chemical.entry_id	CER200
_chemical.name_common	'CER200'

######################
## CHEMICAL FORMULA ##
######################

_chemical_formula.entry_id	CER200
_chemical_formula.structural	'C38H75NO3'

###############
## ATOM_SITE ##
###############

loop_
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_comp_id
_atom_site.label_entity_id
_atom_site.label_seq_id
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
	1	O	O1	CER200	1	1
	67.79	32.26	63.42
	2	H	HO1	CER200	1	1
	68.49	31.64	63.62
	3	C	C1S	CER200	1	1
	66.96	31.71	62.41
	4	H	H1S	CER200	1	1
	65.94	32.12	62.56
	5	H	H1T	CER200	1	1
	66.83	30.62	62.57
	6	N	NF	CER200	1	1
	66.33	31.58	60.07
	7	H	HNF	CER200	1	1
	66.33	30.7	59.64
	8	C	C2S	CER200	1	1
	67.44	31.91	60.95
	9	H	H2S	CER200	1	1
	67.73	32.97	60.82
	10	C	C3S	CER200	1	1
	68.68	31.01	60.73
	11	H	H3S	CER200	1	1
	68.44	29.99	61.05
	12	O	O3	CER200	1	1
	69.86	31.42	61.44
	13	H	HO3	CER200	1	1
	69.63	32.06	62.11
	14	C	C4S	CER200	1	1
	68.95	30.9	59.25
	15	H	H4S	CER200	1	1
	68.4	30.12	58.72
	16	C	C5S	CER200	1	1
	69.83	31.68	58.61
	17	H	H5S	CER200	1	1
	70.36	32.41	59.23
	18	C	C6S	CER200	1	1
	70.22	31.71	57.18
	19	H	H6S	CER200	1	1
	71.31	31.46	57.14
	20	H	H6T	CER200	1	1
	70.13	32.75	56.83
	21	C	C7S	CER200	1	1
	69.37	30.85	56.25
	22	H	H7S	CER200	1	1
	68.28	30.99	56.33
	23	H	H7T	CER200	1	1
	69.61	29.77	56.43
	24	C	C8S	CER200	1	1
	69.55	31.24	54.84
	25	H	H8S	CER200	1	1
	69.46	32.28	54.47
	26	H	H8T	CER200	1	1
	68.79	30.66	54.24
	27	C	C9S	CER200	1	1
	70.92	30.97	54.49
	28	H	H9S	CER200	1	1
	71.18	30.06	55.09
	29	H	H9T	CER200	1	1
	71.95	31.18	54.85
	30	C	C10S	CER200	1	1
	70.58	31.02	52.95
	31	H	H10S	CER200	1	1
	71.62	30.52	52.9
	32	H	H10T	CER200	1	1
	71	31.95	52.63
	33	C	C11S	CER200	1	1
	69.18	30.54	51.74
	34	H	H11S	CER200	1	1
	68.47	30.9	52.38
	35	H	H11T	CER200	1	1
	68.73	29.43	51.62
	36	C	C12S	CER200	1	1
	69.55	30.78	50
	37	H	H12S	CER200	1	1
	70.24	30.04	49.34
	38	H	H12T	CER200	1	1
	70.33	31.54	49.82
	39	C	C13S	CER200	1	1
	68.51	30.6	49.07
	40	H	H13S	CER200	1	1
	68.03	31.47	49.54
	41	H	H13T	CER200	1	1
	68.12	29.61	49.37
	42	C	C14S	CER200	1	1
	69.12	30.64	47.66
	43	H	H14S	CER200	1	1
	69.8	29.78	47.42
	44	H	H14T	CER200	1	1
	69.72	31.57	47.59
	45	C	C15S	CER200	1	1
	67.91	30.58	46.8
	46	H	H15S	CER200	1	1
	67.04	31.04	47.31
	47	H	H15T	CER200	1	1
	67.69	29.52	46.77
	48	C	C16S	CER200	1	1
	68.02	31.04	45.37
	49	H	H16S	CER200	1	1
	68.45	32.05	45.33
	50	H	H16T	CER200	1	1
	66.96	31.09	45.01
	51	C	C17S	CER200	1	1
	68.76	30.07	44.44
	52	H	H17S	CER200	1	1
	68.29	29.06	44.45
	53	H	H17T	CER200	1	1
	69.82	29.98	44.79
	54	C	C18S	CER200	1	1
	68.7	30.53	42.99
	55	H	H18S	CER200	1	1
	67.65	30.5	42.63
	56	H	H18T	CER200	1	1
	69.31	29.88	42.34
	57	H	H18U	CER200	1	1
	69.07	31.57	42.93
	58	C	C1F	CER200	1	1
	65.32	32.43	59.94
	59	O	OF	CER200	1	1
	65.38	33.54	60.4
	60	C	C2F	CER200	1	1
	64.1	31.94	59.28
	61	H	H2F	CER200	1	1
	63.27	32.49	59.8
	62	H	H2G	CER200	1	1
	64.04	30.84	59.43
	63	C	C3F	CER200	1	1
	63.9	32.3	57.81
	64	H	H3F	CER200	1	1
	63.86	33.41	57.73
	65	H	H3G	CER200	1	1
	62.9	31.94	57.49
	66	C	C4F	CER200	1	1
	64.96	31.69	56.89
	67	H	H4F	CER200	1	1
	65.94	32.03	57.31
	68	H	H4G	CER200	1	1
	64.89	32.12	55.88
	69	C	C5F	CER200	1	1
	64.81	30.16	56.73
	70	H	H5F	CER200	1	1
	63.78	29.89	56.4
	71	H	H5G	CER200	1	1
	64.98	29.7	57.72
	72	C	C6F	CER200	1	1
	65.78	29.44	55.78
	73	H	H6F	CER200	1	1
	65.51	28.37	55.71
	74	H	H6G	CER200	1	1
	66.75	29.37	56.3
	75	C	C7F	CER200	1	1
	65.98	30.05	54.38
	76	H	H7F	CER200	1	1
	66.64	29.37	53.79
	77	H	H7G	CER200	1	1
	66.56	30.98	54.53
	78	C	C8F	CER200	1	1
	64.72	30.42	53.54
	79	H	H8F	CER200	1	1
	64.09	31.15	54.07
	80	H	H8G	CER200	1	1
	64.07	29.54	53.39
	81	C	C9F	CER200	1	1
	65.05	30.95	52.14
	82	H	H9F	CER200	1	1
	64.1	30.85	51.55
	83	H	H9G	CER200	1	1
	65.83	30.33	51.66
	84	C	C10F	CER200	1	1
	65.43	32.43	52.09
	85	H	H10F	CER200	1	1
	66.52	32.59	51.98
	86	H	H10G	CER200	1	1
	65.07	32.93	53.01
	87	C	C11F	CER200	1	1
	64.79	33.13	50.91
	88	H	H11F	CER200	1	1
	63.71	33.2	51.13
	89	H	H11G	CER200	1	1
	64.89	32.54	49.97
	90	C	C12F	CER200	1	1
	65.34	34.52	50.66
	91	H	H12F	CER200	1	1
	65.61	35.11	51.56
	92	H	H12G	CER200	1	1
	64.42	34.95	50.24
	93	C	C13F	CER200	1	1
	66.51	34.51	49.65
	94	H	H13F	CER200	1	1
	66.11	33.99	48.75
	95	H	H13G	CER200	1	1
	67.34	33.96	50.13
	96	C	C14F	CER200	1	1
	67.15	35.84	49.2
	97	H	H14F	CER200	1	1
	67.2	36.68	49.91
	98	H	H14G	CER200	1	1
	66.46	36.12	48.46
	99	C	C15F	CER200	1	1
	68.3	35.82	48.25
	100	H	H15F	CER200	1	1
	69.04	35.3	48.87
	101	H	H15G	CER200	1	1
	68.63	36.87	48.03
	102	C	C16F	CER200	1	1
	68.05	35.07	46.94
	103	H	H16F	CER200	1	1
	67.52	34.1	47.06
	104	H	H16G	CER200	1	1
	69.09	34.9	46.59
	105	C	C17F	CER200	1	1
	67.36	35.88	45.85
	106	H	H17F	CER200	1	1
	67.95	36.77	45.58
	107	H	H17G	CER200	1	1
	66.44	36.34	46.2
	108	C	C18F	CER200	1	1
	67.04	35.08	44.58
	109	H	H18F	CER200	1	1
	67.67	34.24	44.36
	110	H	H18G	CER200	1	1
	66.92	35.85	43.76
	111	C	C19F	CER200	1	1
	65.79	34.27	44.64
	112	H	H19F	CER200	1	1
	65.52	35.25	44.93
	113	H	H19G	CER200	1	1
	65.46	33.65	45.49
	114	C	C20F	CER200	1	1
	65.23	33.89	43.31
	115	H	H20F	CER200	1	1
	64.25	33.41	43.52
	116	H	H20G	CER200	1	1
	65.73	33.08	42.83
	117	H	H20H	CER200	1	1
	65.1	34.79	42.62

##########
## CELL ##
##########

_cell.entry_id	CER200
_cell.length_a	50
_cell.length_b	50
_cell.length_c	50
_cell.angle_alpha	90
_cell.angle_beta	90
_cell.angle_gamma	90

